copanlisib   Click here for help

GtoPdb Ligand ID: 7875

Synonyms: Aliqopa® | BAY 80-6946 | BAY80-6946
Approved drug PDB Ligand
copanlisib is an approved drug (FDA (2017))
Compound class: Synthetic organic
Comment: Copanlisib is a phosphoinositide 3-kinase (PI3K) inhibitor [2], preferentially inhibiting PI3Kα and PI3Kβ, and with significant antineoplastic activity [3]. The compound has less potent mTOR activity.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 142.01
Molecular weight 480.22
XLogP 1.76
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1
Isomeric SMILES COc1c(OCCCN2CCOCC2)ccc2c1nc(=NC(=O)c1cnc(nc1)N)n1c2NCC1
InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9726 copanlisib
Synonyms Click here for help
Aliqopa® | BAY 80-6946 | BAY80-6946
Database Links Click here for help
CAS Registry No. 1032568-63-0
ChEMBL Ligand CHEMBL3218576
DrugBank Ligand DB12483
DrugCentral Ligand 5256
GtoPdb PubChem SID 223366204
PubChem CID 135565596
RCSB PDB Ligand 6E2
Search Google for chemical match using the InChIKey MWYDSXOGIBMAET-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MWYDSXOGIBMAET
Search PubMed clinical trials copanlisib
Search PubMed titles copanlisib
Search PubMed titles/abstracts copanlisib
UniChem Compound Search for chemical match using the InChIKey MWYDSXOGIBMAET-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey MWYDSXOGIBMAET-UHFFFAOYSA-N
Wikipedia Copanlisib